2-[5-(2-aminophenyl)tetrazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

C18H18N6O — CID 858716

IUPAC2-[5-(2-aminophenyl)tetrazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESNc1ccccc1-c1nnn(CC(=O)N2CCCc3ccccc32)n1
InChIInChI=1S/C18H18N6O/c19-15-9-3-2-8-14(15)18-20-22-24(21-18)12-17(25)23-11-5-7-13-6-1-4-10-16(13)23/h1-4,6,8-10H,5,7,11-12,19H2
InChIKeyFPBXMVVWJINJPA-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.90
Rot. Bonds3

About 2-[5-(2-aminophenyl)tetrazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

2-[5-(2-aminophenyl)tetrazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 858716) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[5-(2-aminophenyl)tetrazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-(2-aminophenyl)tetrazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID858716
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name2-[5-(2-aminophenyl)tetrazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESNc1ccccc1-c1nnn(CC(=O)N2CCCc3ccccc32)n1
InChIInChI=1S/C18H18N6O/c19-15-9-3-2-8-14(15)18-20-22-24(21-18)12-17(25)23-11-5-7-13-6-1-4-10-16(13)23/h1-4,6,8-10H,5,7,11-12,19H2
InChIKeyFPBXMVVWJINJPA-UHFFFAOYSA-N
XLogP1.90
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminophenyl)tetrazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-[5-(2-aminophenyl)tetrazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 858716) is 2-[5-(2-aminophenyl)tetrazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-[5-(2-aminophenyl)tetrazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-[5-(2-aminophenyl)tetrazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is Nc1ccccc1-c1nnn(CC(=O)N2CCCc3ccccc32)n1.
What is the InChIKey of 2-[5-(2-aminophenyl)tetrazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is FPBXMVVWJINJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c19-15-9-3-2-8-14(15)18-20-22-24(21-18)12-17(25)23-11-5-7-13-6-1-4-10-16(13)23/h1-4,6,8-10H,5,7,11-12,19H2.
What are the key properties of 2-[5-(2-aminophenyl)tetrazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-[5-(2-aminophenyl)tetrazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 334.38 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminophenyl)tetrazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 858716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).